MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007144
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007144
RECORD_TITLE: BENZYLACETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: BENZYLACETONE
CH$NAME: 4-PHENYL-2-BUTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O
CH$EXACT_MASS: 148.08882
CH$SMILES: CC(=O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
CH$LINK: CAS
2550-26-7
CH$LINK: INCHIKEY
AKGGYBADQZYZPD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6033241
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9500000000-71d38ef53ad7e770709b
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
15 5.21 52
27 8.51 85
38 1.41 14
39 10.83 108
41 2.04 20
42 1.95 20
43 99.99 999
44 1.83 18
50 6.91 69
51 17.75 178
52 3.27 33
53 1.75 18
55 2.87 29
62 1.43 14
63 6.56 66
64 1.21 12
65 11.58 116
74 1.74 17
75 1.46 15
76 1.49 15
77 21.32 213
78 13.65 137
79 12.29 123
89 2.36 24
91 55.57 556
92 3.96 40
102 1.44 14
103 9.9 99
104 10.48 105
105 67.47 675
106 7.49 75
115 2.82 28
129 1.61 16
133 10.69 107
147 2.14 21
148 56.16 562
149 5.91 59
//